N-benzylidene-4-methylaniline
TL;DR: N-benzylidene-4-methylaniline (CAS 2272-45-9) is a chemical compound with molecular formula C14H13N and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)-1-phenylmethanimine
Also Known As: N-Benzylidene-p-toluidine, (E)-N-benzylidene-4-methylaniline, Benzal-p-toluidine, N-Benzylidene-4-methylaniline, Benzal-p-toluidin
| Molecular Formula | C14H13N |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.1048 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 2272-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=CC2=CC=CC=C2 |
| InChIKey | MSFVFFZPHJPOHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzylidene-4-methylaniline (CAS 2272-45-9), with molecular formula C14H13N and molecular weight 195.10 g/mol. IUPAC: N-(4-methylphenyl)-1-phenylmethanimine.
Chemical Property Profile of N-benzylidene-4-methylaniline
Property Insights of N-benzylidene-4-methylaniline
The XLogP value of 3.2 indicates that N-benzylidene-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, N-benzylidene-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzylidene-4-methylaniline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzylidene-4-methylaniline?
The CAS number of N-benzylidene-4-methylaniline is 2272-45-9.
What is the molecular formula of N-benzylidene-4-methylaniline?
The molecular formula of N-benzylidene-4-methylaniline is C14H13N.
What is the molecular weight of N-benzylidene-4-methylaniline?
The molecular weight of N-benzylidene-4-methylaniline is 195.10 g/mol.
Where can I buy N-benzylidene-4-methylaniline?
You can request a quote for N-benzylidene-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzylidene-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzylidene-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.